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1-Isothiocyanatohexadecane

View entire compound with spectra: 2 MS (GC)

1-Isothiocyanatohexadecane
SpectraBase Compound ID Ei4VDQhdaRZ
InChI InChI=1S/C17H33NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19/h2-16H2,1H3
InChIKey KLULJVSOVKADRQ-UHFFFAOYSA-N
Mol Weight 283.5 g/mol
Molecular Formula C17H33NS
Exact Mass 283.233371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdM7xAEkoVE
Name 1-Isothiocyanatohexadecane
Alternate Name(s) Hexadecyl isothiocyanate
CAS Registry Number 4426-87-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H33NS
InChI InChI=1S/C17H33NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19/h2-16H2,1H3
InChIKey KLULJVSOVKADRQ-UHFFFAOYSA-N
Molecular Weight 283.518 g/mol
SMILES CCCCCCCCCCCCCCCCN=C=S
SPLASH splash10-0ktf-9120000000-f51d2e0ee5ceba3d7eaa
Source of Spectrum KC-91-5533-0
Wiley ID 1629511